[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate

C29H38N4O3 — CID 58443119

IUPAC[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate
SMILESNC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H38N4O3/c30-28-32-26-17-16-25(36-24-14-8-3-9-15-24)18-22(26)19-33(28)27(21-10-4-1-5-11-21)20-35-29(34)31-23-12-6-2-7-13-23/h3,8-9,14-18,21,23,27H,1-2,4-7,10-13,19-20H2,(H2,30,32)(H,31,34)/t27-/m0/s1
InChIKeyIKZSEJOAIHOBSC-MHZLTWQESA-N
MW490.65 g/mol
LogP6.25
Rot. Bonds7

About [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate

[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate (PubChem CID 58443119) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate
PubChem CID58443119
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate
SMILESNC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H38N4O3/c30-28-32-26-17-16-25(36-24-14-8-3-9-15-24)18-22(26)19-33(28)27(21-10-4-1-5-11-21)20-35-29(34)31-23-12-6-2-7-13-23/h3,8-9,14-18,21,23,27H,1-2,4-7,10-13,19-20H2,(H2,30,32)(H,31,34)/t27-/m0/s1
InChIKeyIKZSEJOAIHOBSC-MHZLTWQESA-N
XLogP6.25
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate?
The IUPAC name of [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate (CID 58443119) is [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate.
What is the SMILES notation for [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate?
The canonical SMILES for [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate is NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate?
The InChIKey is IKZSEJOAIHOBSC-MHZLTWQESA-N. The full InChI is InChI=1S/C29H38N4O3/c30-28-32-26-17-16-25(36-24-14-8-3-9-15-24)18-22(26)19-33(28)27(21-10-4-1-5-11-21)20-35-29(34)31-23-12-6-2-7-13-23/h3,8-9,14-18,21,23,27H,1-2,4-7,10-13,19-20H2,(H2,30,32)(H,31,34)/t27-/m0/s1.
What are the key properties of [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate?
[(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate has a molecular weight of 490.65 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-2-cyclohexylethyl] N-cyclohexylcarbamate is sourced from PubChem (CID 58443119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).